%chk=000096576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096576

0 1
 O   -2.791600      -2.425700     -8.0200002E-02
 O   -1.196300      -2.091800      -1.673700    
 N    1.311100     -0.5300000      0.8610000    
 C   -1.556400     -0.4148000      5.1800001E-02
 C  -0.4263000      0.3711000     -0.6611000    
 C   -1.068200     -0.7643000       1.481100    
 C   0.9510000     -0.2925000     -0.5396000    
 C   0.3264000      -1.400700       1.509800    
 C   -2.870400      0.3833000      1.4800000E-02
 C   -1.801400      -1.720100     -0.6793000    
 C    2.650200      -1.110600      0.9550000    
 C   -3.428000      0.7429000      -1.209300    
 C   -3.495800      0.7429000       1.205700    
 C    3.696800     -0.2063000      0.3605000    
 C   -4.619500       1.467300      -1.242900    
 C   -4.687400       1.467100       1.172200    
 C   -5.249300       1.829400     -5.2099999E-02
 C    4.018400     -0.3246000     -0.9845000    
 C    4.325700      0.7330000       1.165900    
 C    4.988400      0.5130000      -1.535100    
 C    5.295600       1.570700      0.6152000    
 C    5.627000       1.460600     -0.7352000    
 H  -0.3668000       1.382500     -0.2334000    
 H  -0.6457000      0.5068000      -1.728000    
 H   -1.765700      -1.435800       1.998000    
 H   -1.003900      0.1510000       2.086300    
 H    1.001300      -1.215000      -1.128400    
 H    1.626200      0.4296000      -1.007000    
 H   0.6043000      -1.552500       2.560300    
 H   0.3002000      -2.391900       1.039100    
 H    2.695600      -2.095300      0.4684000    
 H    2.905900      -1.290300       2.008100    
 H   -2.958400      0.4667000      -2.149100    
 H   -3.112100      0.4802000       2.184500    
 H   -5.058000       1.748100      -2.196100    
 H   -5.179900       1.747200       2.098900    
 H   -2.966300      -3.274400     -0.5399000    
 H    3.542000      -1.068300      -1.617100    
 H    4.074000      0.8287000       2.218400    
 H   -6.177600       2.392400     -7.8100003E-02
 H    5.249000      0.4251000      -2.585800    
 H    5.792600       2.308800       1.237800    
 H    6.382700       2.112400      -1.163800    


%chk=000096576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096576

0 1
O -2.545486 -2.681409 0.092560
O -1.912994 -1.841790 -1.965776
N 1.312415 -0.668351 0.595107
C -1.612566 -0.416132 0.062240
C -0.526800 0.373314 -0.734211
C -1.021802 -0.779013 1.451985
C 0.826359 -0.361001 -0.773409
C 0.332783 -1.501935 1.330885
C -2.918758 0.421311 0.152161
C -1.999736 -1.683168 -0.726774
C 2.670373 -1.260482 0.594857
C -3.553866 0.845892 -1.046258
C -3.501212 0.787779 1.390581
C 3.758878 -0.271916 0.184796
C -4.730105 1.623442 -1.006658
C -4.678165 1.570233 1.431590
C -5.297394 1.993540 0.234989
C 4.870024 -0.702247 -0.580900
C 3.701765 1.080448 0.607531
C 5.911654 0.195561 -0.911080
C 4.737606 1.980815 0.275455
C 5.849084 1.541331 -0.482793
H -0.398144 1.354059 -0.240138
H -0.867633 0.551220 -1.768278
H -1.725424 -1.410498 2.020847
H -0.856979 0.161327 2.011059
H 0.726754 -1.293926 -1.385612
H 1.573904 0.278974 -1.274468
H 0.730644 -1.698982 2.344180
H 0.183284 -2.498984 0.838346
H 2.733322 -2.167270 -0.060751
H 2.871891 -1.607523 1.629110
H -3.135021 0.554156 -2.016526
H -3.046681 0.466050 2.331706
H -5.204390 1.937878 -1.943132
H -5.111209 1.845589 2.400028
H -2.844938 -3.437788 -0.482013
H 4.919692 -1.744021 -0.923082
H 2.830185 1.408889 1.184784
H -6.210289 2.598597 0.268247
H 6.764644 -0.152401 -1.504997
H 4.680519 3.024223 0.607019
H 6.653213 2.240110 -0.740109


